Screening transition metal-based polar pentagonal monolayers with large piezoelectricity and shift current - Guo, Yaguang; Zhou, Jian; Xie, Huanhuan; Chen, Yanyan; Wang, Qian (npj computational materials, 2022)
Keywords: 639/301/119; 639/301/357; Characterization and Evaluation of Materials; Chemistry and Materials Science; Computational Intelligence; Electric polarization; Ferroelectric materials; Ferroelectricity; First principles; High-throughput screening; Materials Science; Mathematical and Computational Engineering; Mathematical and Computational Physics; Mathematical Modeling and Industrial Mathematics; Metal compounds; Monolayers; Phase transitions; Piezoelectricity; Screening; Theoretical; Transition metal compounds; Two dimensional materials